N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide

C14H26N2O2 — CID 55166698

IUPACN-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCCCC2O)CCNC1
InChIInChI=1S/C14H26N2O2/c1-2-7-14(8-9-15-10-14)13(18)16-11-5-3-4-6-12(11)17/h11-12,15,17H,2-10H2,1H3,(H,16,18)
InChIKeyGGYBLUFIAFCMIL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.19
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide

N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 55166698) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID55166698
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCCCC2O)CCNC1
InChIInChI=1S/C14H26N2O2/c1-2-7-14(8-9-15-10-14)13(18)16-11-5-3-4-6-12(11)17/h11-12,15,17H,2-10H2,1H3,(H,16,18)
InChIKeyGGYBLUFIAFCMIL-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide (CID 55166698) is N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NC2CCCCC2O)CCNC1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is GGYBLUFIAFCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-7-14(8-9-15-10-14)13(18)16-11-5-3-4-6-12(11)17/h11-12,15,17H,2-10H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide?
N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55166698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).